Sugi Predict

Sugi Predict / Compounds / SCHEMBL408540

SCHEMBL408540

SCHEMBL408540

COCc1cc(-c2nc(-c3ccc(CN(C)CC(=O)OC(C)(C)C)c(F)c3)no2)ccc1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.51
▸ S1PR3 Q99500 2/20 0.51
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BDKRB1 P46663 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL409359 0.93 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL410972 0.92 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9ABDKRB1
SCHEMBL410684 0.92 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL409286 0.91 S1PR1 (0.57) S1PR1S1PR3HDAC1HDAC6HDAC5
SCHEMBL409331 0.90 S1PR1 (0.57) S1PR1S1PR3NPC1RAB9AALDH1A1
SCHEMBL410024 0.90 S1PR1 (0.51) S1PR1S1PR3NPC1RAB9AHDAC6
SCHEMBL409957 0.89 S1PR1 (0.50) S1PR1S1PR3NPC1RAB9AALDH1A1
SCHEMBL409474 0.89 S1PR1 (0.49) S1PR1S1PR3NPC1RAB9AALDH1A1
SCHEMBL2773016 0.88 S1PR1 (0.52) S1PR1S1PR3NPC1RAB9AALDH1A1
SCHEMBL405204 0.87 S1PR1 (0.55) S1PR1S1PR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 — — EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 — — EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 — — US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 — — US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 — — US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 — — EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 — — US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885NPC1 3880/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB S1PR1 448/4885S1PR3 310/4885NPC1 3880/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.